| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-10 17:00:15 UTC |
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| Update Date | 2020-04-22 18:55:42 UTC |
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| BMDB ID | BMDB0096042 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Beta-Citryl-L-glutamic acid |
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| Description | Beta-Citryl-L-glutamic acid, also known as b-citryl-L-glutamate, belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on Beta-Citryl-L-glutamic acid. |
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| Structure | |
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| Synonyms | | Value | Source |
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| b-Citryl-L-glutamate | Generator | | b-Citryl-L-glutamic acid | Generator | | beta-Citryl-L-glutamate | Generator | | Β-citryl-L-glutamate | Generator | | Β-citryl-L-glutamic acid | Generator | | 3-(((1,3-Dicarboxypropyl)amino)carbonyl)-3-hydroxy-pentanedioate | HMDB | | 3-(((1,3-Dicarboxypropyl)amino)carbonyl)-3-hydroxy-pentanedioic acid | HMDB | | beta-Citrylglutamic acid | HMDB | | 2-{[3-carboxy-2-(carboxymethyl)-1,2-dihydroxypropylidene]amino}pentanedioate | Generator |
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| Chemical Formula | C11H15NO10 |
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| Average Molecular Weight | 321.2375 |
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| Monoisotopic Molecular Weight | 321.069595705 |
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| IUPAC Name | 2-[3-carboxy-2-(carboxymethyl)-2-hydroxypropanamido]pentanedioic acid |
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| Traditional Name | 2-[3-carboxy-2-(carboxymethyl)-2-hydroxypropanamido]pentanedioic acid |
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| CAS Registry Number | Not Available |
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| SMILES | OC(=O)CCC(NC(=O)C(O)(CC(O)=O)CC(O)=O)C(O)=O |
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| InChI Identifier | InChI=1S/C11H15NO10/c13-6(14)2-1-5(9(19)20)12-10(21)11(22,3-7(15)16)4-8(17)18/h5,22H,1-4H2,(H,12,21)(H,13,14)(H,15,16)(H,17,18)(H,19,20) |
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| InChI Key | GAQNUGISBQJMKO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Amino acids, peptides, and analogues |
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| Direct Parent | Glutamic acid and derivatives |
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| Alternative Parents | |
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| Substituents | - Glutamic acid or derivatives
- N-acyl-alpha-amino acid
- Tetracarboxylic acid or derivatives
- N-acyl-alpha amino acid or derivatives
- Fatty amide
- N-acyl-amine
- Fatty acyl
- Tertiary alcohol
- Carboxamide group
- Secondary carboxylic acid amide
- Carboxylic acid
- Alcohol
- Organonitrogen compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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